2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine

C16H21N3O — CID 79701065

IUPAC2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine
SMILESc1cc2oc(C3CC3)nc2cc1NCC1CCNCC1
InChIInChI=1S/C16H21N3O/c1-2-12(1)16-19-14-9-13(3-4-15(14)20-16)18-10-11-5-7-17-8-6-11/h3-4,9,11-12,17-18H,1-2,5-8,10H2
InChIKeyNFUULRBNTRPZEO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds4

About 2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine

2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine (PubChem CID 79701065) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine
PubChem CID79701065
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine
SMILESc1cc2oc(C3CC3)nc2cc1NCC1CCNCC1
InChIInChI=1S/C16H21N3O/c1-2-12(1)16-19-14-9-13(3-4-15(14)20-16)18-10-11-5-7-17-8-6-11/h3-4,9,11-12,17-18H,1-2,5-8,10H2
InChIKeyNFUULRBNTRPZEO-UHFFFAOYSA-N
XLogP3.12
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 82834532
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686403
2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 43686438
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine
CID 62345894
2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 63657219
2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81412586
N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686416
5-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]thiophene-2-carbonitrile
CID 115743173
2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine
CID 104749624

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine?
The IUPAC name of 2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine (CID 79701065) is 2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine is c1cc2oc(C3CC3)nc2cc1NCC1CCNCC1.
What is the InChIKey of 2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine?
The InChIKey is NFUULRBNTRPZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-12(1)16-19-14-9-13(3-4-15(14)20-16)18-10-11-5-7-17-8-6-11/h3-4,9,11-12,17-18H,1-2,5-8,10H2.
What are the key properties of 2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine?
2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine has a molecular weight of 271.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79701065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).